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There are 3 purchasable compounds for target: KAS III

Wt: 455.3
BDBM23570
Purchase
Wt: 406.4
BDBM23574
Purchase
Wt: 339.3
BDBM23607
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 23570,23574,23607   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23570
PNG
(2-{[4-bromo-3-(diethylsulfamoyl)benzene]amido}benz...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
PDB
MMDB

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UniProtKB/SwissProt

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MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.60E+3n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23574
PNG
(2-{[3-(diethylsulfamoyl)-4-methoxybenzene]amido}be...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1OC)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C19H22N2O6S/c1-4-21(5-2)28(25,26)17-12-13(10-11-16(17)27-3)18(22)20-15-9-7-6-8-14(15)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.14E+4n/an/an/an/a7.022



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23574
PNG
(2-{[3-(diethylsulfamoyl)-4-methoxybenzene]amido}be...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1OC)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C19H22N2O6S/c1-4-21(5-2)28(25,26)17-12-13(10-11-16(17)27-3)18(22)20-15-9-7-6-8-14(15)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Eur J Med Chem 43: 1071-80 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23570
PNG
(2-{[4-bromo-3-(diethylsulfamoyl)benzene]amido}benz...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C18H19BrN2O5S/c1-3-21(4-2)27(25,26)16-11-12(9-10-14(16)19)17(22)20-15-8-6-5-7-13(15)18(23)24/h5-11H,3-4H2,1-2H3,(H,20,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Shri G.S. Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay


Eur J Med Chem 43: 1071-80 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
beta-Ketoacyl-ACP Synthase III (FabH)


(Enterococcus faecalis)
BDBM23607
PNG
(3-Phenoxybenzoylamino deriv., 28a | 3-[(3-phenoxyb...)
Show SMILES OC(=O)c1sccc1NC(=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C18H13NO4S/c20-17(19-15-9-10-24-16(15)18(21)22)12-5-4-8-14(11-12)23-13-6-2-1-3-7-13/h1-11H,(H,19,20)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Quorex Pharmaceuticals Inc.



Assay Description
The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of a...


J Med Chem 48: 1596-609 (2005)

More data for this
Ligand-Target Pair